N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

C15H21N3S — CID 104859101

IUPACN'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCc1nc(CN(CCN)Cc2ccccc2)cs1
InChIInChI=1S/C15H21N3S/c1-2-15-17-14(12-19-15)11-18(9-8-16)10-13-6-4-3-5-7-13/h3-7,12H,2,8-11,16H2,1H3
InChIKeySCSMVYNNBUSPPF-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.67
Rot. Bonds7

About N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104859101) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID104859101
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCc1nc(CN(CCN)Cc2ccccc2)cs1
InChIInChI=1S/C15H21N3S/c1-2-15-17-14(12-19-15)11-18(9-8-16)10-13-6-4-3-5-7-13/h3-7,12H,2,8-11,16H2,1H3
InChIKeySCSMVYNNBUSPPF-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 104859101) is N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is CCc1nc(CN(CCN)Cc2ccccc2)cs1.
What is the InChIKey of N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is SCSMVYNNBUSPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-15-17-14(12-19-15)11-18(9-8-16)10-13-6-4-3-5-7-13/h3-7,12H,2,8-11,16H2,1H3.
What are the key properties of N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104859101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).